methyl 4-ethanoyl-4-(2-hydroxyethyl)-5-oxidanylidene-heptanoate

Systemtic Name: methyl 4-ethanoyl-4-(2-hydroxyethyl)-5-oxidanylidene-heptanoate Openeye Name: methyl 4-acetyl-4-(2-hydroxyethyl)-5-oxo-heptanoate CAS Name: 4-acetyl-4-(2-hydroxyethyl)-5-oxoheptanoic acid methyl ester IUPAC Name: methyl 4-acetyl-4-(2-hydroxyethyl)-5-oxoheptanoate Traditional Name: 4-acetyl-4-(2-hydroxyethyl)-5-keto-enanthic acid methyl ester Formula: C12H20O5 MolecularWeight: 244.2842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCC(=O)OC)(CCO)C(=O)C

Isomeric SMILES

CCC(=O)C(CCC(=O)OC)(CCO)C(=O)C

InChI

InChI=1S/C12H20O5/c1-4-10(15)12(7-8-13,9(2)14)6-5-11(16)17-3/h13H,4-8H2,1-3H3